SCHEMBL3205404

SCHEMBL3205404

CC(C)(C)OC(=O)NCCc1cc(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.51
▸ MEN1 O00255 9/20 0.51
▸ KMT2A Q03164 9/20 0.51
▸ MAPT P10636 7/20 0.51
▸ GAA P10253 7/20 0.51
▸ USP2 O75604 6/20 0.51
▸ LMNA P02545 6/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ HPGD P15428 5/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ CASP1 P29466 4/20 0.51
▸ CASP7 P55210 4/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ GLA P06280 2/20 0.51
▸ ATM Q13315 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24623242 0.88 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL22632115 0.87 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL14305006 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL24623962 0.85 KMT2A (0.60) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL24623305 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL22632114 0.79 KMT2A (0.55) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL903151 0.78 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL1212238 0.77 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL31718750 0.76 KMT2A (0.60) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL24983022 0.76 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 — — US disclosed
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 — — US disclosed
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 — — US disclosed
US-8337941-B2 Fluorescent substrates for monoamine transporters as optical false neurotransmitters THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-12-25 — — US disclosed
US-8337941-B2 Fluorescent substrates for monoamine transporters as optical false neurotransmitters THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-12-25 — — US disclosed
US-8337941-B2 Fluorescent substrates for monoamine transporters as optical false neurotransmitters THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-12-25 — — US disclosed
US-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — US disclosed
US-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — US disclosed
US-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — US disclosed
WO-2008013997-A2 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-01-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters SLC18A2, SLC6A2, SLC18A3 ALDH1A1 904/4885MEN1 3095/4885KMT2A 2665/4885
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS SLC18A2, SLC6A2, SLC18A3 ALDH1A1 904/4885MEN1 3095/4885KMT2A 2665/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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